D-Glucose-6,6-d2 - ≥98 atom% D , CAS No.18991-62-3

CAS: 18991-62-3 Cat. No.: D133263 Formula: C₆H₁₀D₂O₆ Molecular Weight: 182.168

GRADE & PURITY ≥98 atom% D

Synonyms

D-Glucose-6,6-d2, meets EP, USP testing specifications, 98 atom % D | DTXSID00940518 | (C~6~,C~6~-~2~H_2_)Hexopyranose | J-012258 | UNII-W8HHU8ES4E | W8HHU8ES4E | D-[6,6'-2H2]glucose | D-Glucose-6,6-d2 | D-Glucose-6,6-d2, S & P tested, >=98 atom % D, >=99

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

D-Glucose-d2 is the deuterium labeled D-Glucose. D-Glucose (Glucose), a monosaccharide, is an important carbohydrate in biology. D-Glucose is a carbohydrate sweetener and critical components of the general metabolism, and serve as critical signaling molecules in relation to both cellular metabolic status and biotic and abiotic stress response.

Specifications

Synonyms

D-Glucose-6,6-d2, meets EP, USP testing specifications, 98 atom % D | DTXSID00940518 | (C~6~,C~6~-~2~H_2_)Hexopyranose | J-012258 | UNII-W8HHU8ES4E | W8HHU8ES4E | D-[6,6'-2H2]glucose | D-Glucose-6,6-d2 | D-Glucose-6,6-d2, S & P tested, >=98 atom % D, >=99

Specifications & Purity

≥98 atom% D

Storage

Room temperature,Argon charged

Shipped In

Normal

Purity

≥98 atom% D

Names and Identifiers

Pubchem Sid

504767037

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504767037

Canonical Smiles

C(C1C(C(C(C(O1)O)O)O)O)O

IUPAC Name

(3R,4S,5S,6R)-6-[dideuterio(hydroxy)methyl]oxane-2,3,4,5-tetrol

InChIKey

WQZGKKKJIJFFOK-VARZTKRMSA-N

INCHI

1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1/i1D2

Isomeric SMILES

[2H]C([2H])([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O)O

Alternate CAS

50-99-7(unlabeled)

Molecular Weight

182.168

Reaxy-Rn

1907357

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1907357&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Monosaccharides
• Alternative Parents: Oxanes Secondary alcohols Hemiacetals Polyols Oxacyclic compounds Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxane - Monosaccharide - Secondary alcohol - Hemiacetal - Oxacycle - Organoheterocyclic compound - Polyol - Hydrocarbon derivative - Primary alcohol - Alcohol - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as monosaccharides. These are compounds containing one carbohydrate unit not glycosidically linked to another such unit, and no set of two or more glycosidically linked carbohydrate units. Monosaccharides have the general formula CnH2nOn.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Specific Rotation[α]: +52.0(25℃,c=2 in water+trace NH4OH)
• Melt Point(°C): 150-152°C
• Molecular Weight: 182.170 g/mol
• XLogP3: -2.600
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 182.076 Da
• Monoisotopic Mass: 182.076 Da
• Topological Polar Surface Area: 110.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 151.000
• Isotope Atom Count: 2
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1